Chlorine in PDB 5s5m: Tubulin-Z45527714-Complex

The structure of Tubulin-Z45527714-Complex, PDB code: 5s5m was solved by T.Muehlethaler, D.Gioia, A.E.Prota, M.E.Sharpe, A.Cavalli, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.92 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.66, 159.8, 179.1, 90, 90, 90
R / Rfree (%)	21.5 / 26.9

The structure of Tubulin-Z45527714-Complex also contains other interesting chemical elements:

Calcium	(Ca)	4 atoms
Magnesium	(Mg)	5 atoms

The binding sites of Chlorine atom in the Tubulin-Z45527714-Complex (pdb code 5s5m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Tubulin-Z45527714-Complex, PDB code: 5s5m:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Tubulin-Z45527714-Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tubulin-Z45527714-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:93.6 occ:0.75 CL1 B:X0S505 0.0 93.6 0.8 C6 B:X0S505 1.7 80.7 0.8 C1 B:X0S505 2.7 78.1 0.8 C5 B:X0S505 2.7 83.4 0.8 H1 B:X0S505 2.8 93.9 0.8 O1 B:X0S505 2.9 92.6 0.8 S1 B:X0S505 3.2 91.5 0.8 O B:PRO222 3.6 108.0 1.0 O2 B:X0S505 3.7 92.6 0.8 C B:THR223 3.8 87.2 1.0 CA B:THR223 3.8 89.1 1.0 N B:TYR224 3.9 86.7 1.0 C2 B:X0S505 4.0 75.9 0.8 C4 B:X0S505 4.0 79.5 0.8 C B:PRO222 4.1 110.6 1.0 N B:THR223 4.2 96.7 1.0 CG1 B:VAL177 4.3 75.8 1.0 O B:THR223 4.3 89.0 1.0 C3 B:X0S505 4.5 77.9 0.8 CD1 B:TYR224 4.5 72.2 1.0 CE1 B:TYR224 4.6 69.1 1.0 CA B:TYR224 4.7 79.5 1.0 H2 B:X0S505 4.7 91.3 0.8 CG B:TYR224 4.7 77.5 1.0 H4 B:X0S505 4.7 95.5 0.8 N1 B:X0S505 4.8 91.2 0.8 CD2 B:LEU227 4.8 70.2 1.0 CD1 B:LEU227 4.9 82.4 1.0 CZ B:TYR224 4.9 70.6 1.0 CD2 B:TYR224 5.0 72.3 1.0

Chlorine binding site 2 out of 2 in the Tubulin-Z45527714-Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tubulin-Z45527714-Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:95.9 occ:0.74 CL1 C:X0S504 0.0 95.9 0.7 C6 C:X0S504 1.7 80.9 0.7 C1 C:X0S504 2.7 73.1 0.7 C5 C:X0S504 2.7 79.9 0.7 H1 C:X0S504 2.8 87.9 0.7 O1 C:X0S504 2.8 84.1 0.7 S1 C:X0S504 3.3 91.9 0.7 CD1 C:LEU242 3.4 70.9 1.0 OE1 C:GLN133 3.8 93.7 1.0 CD2 C:LEU242 3.8 84.7 1.0 OG1 C:THR253 3.8 83.7 1.0 CD C:GLN133 3.9 100.6 1.0 C2 C:X0S504 4.0 68.8 0.7 C4 C:X0S504 4.0 78.7 0.7 O2 C:X0S504 4.0 87.1 0.7 CB C:LEU252 4.1 72.0 1.0 CG C:LEU242 4.2 74.5 1.0 NE2 C:GLN133 4.2 104.1 1.0 CD2 C:LEU252 4.3 73.4 1.0 CG C:LEU252 4.4 69.6 1.0 N C:THR253 4.5 83.0 1.0 C3 C:X0S504 4.5 70.2 0.7 CG C:GLN133 4.5 94.2 1.0 N1 C:X0S504 4.6 91.7 0.7 H2 C:X0S504 4.7 82.7 0.7 H4 C:X0S504 4.7 94.5 0.7 SG C:CYS4 4.7 73.4 0.8 C C:LEU252 4.8 83.8 1.0 CB C:THR253 4.9 85.1 1.0 CA C:THR253 4.9 81.6 1.0 CA C:LEU252 5.0 80.4 1.0

T.Muhlethaler, D.Gioia, A.E.Prota, M.E.Sharpe, A.Cavalli, M.O.Steinmetz. Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl. V. 60 13331 2021.
ISSN: ESSN 1521-3773
PubMed: 33951246
DOI: 10.1002/ANIE.202100273